SCHEMBL3691973

SCHEMBL3691973

CC(C)(N)Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.61
OPRK1 P41145 11/20 0.61
OPRD1 P41143 7/20 0.61
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
GRIN1 Q05586 1/20 0.56
KCNH2 Q12809 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
ROCK1 Q13464 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
NNMT P40261 2/20 0.51
ABCB1 P08183 1/20 0.50
ADRB3 P13945 5/20 0.49
ADRB1 P08588 2/20 0.49
ADRB2 P07550 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7971486 0.88 LMNA (0.56) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL7973532 0.85 PDE4B (0.51) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL21628752 0.84 OPRM1 (0.67) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL27569187 0.83 OPRM1 (0.67) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL5830694 0.83 PARP10 (0.61) OPRM1OPRK1OPRD1SLC6A2SLC6A3
SCHEMBL13285698 0.82 OPRM1 (0.68) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL3693246 0.82 OPRM1 (0.64) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL19363007 0.81 RAB9A (0.62) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL3703388 0.81 OPRM1 (0.72) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL10056174 0.81 PARP10 (0.64) OPRM1OPRK1OPRD1GRIN2DGRIN3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 OPRM1 1/4885OPRK1 4/4885OPRD1 2/4885
US-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 OPRM1 80/4885OPRK1 32/4885OPRD1 24/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 OPRM1 1/4885OPRK1 4/4885OPRD1 2/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 OPRM1 96/4885OPRK1 58/4885OPRD1 93/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.